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Compound Detail

CHEMBL252967

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CCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252967
Phase Preclinical
Structure Type MOL
InChI Key XCTKFTOEAKJMII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
6.11
ALogP
6
HBA
1
HBD
58.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H30Cl2N6
MW 485.46
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 1.6 nM 8.8 Inhibition of JNK3 17451961

Literature References

PubMed DOI Target Context # Activities
17451961 10.1016/j.bmc.2007.03.062 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine